Information card for entry 7119097

Structure parameters

• Formula: C19 H37 B10 N2 Rh
• Calculated formula: C19 H37 B10 N2 Rh
• SMILES: [Rh]1234([C]5678[C]9%10%11(CCN%12C=CN(C=1%12)C(C)(C)C)[BH]1%125[BH]5%136[BH]6%147[BH]789[BH]89%14[BH]%14%136[BH]6%125[BH]5%101[BH]%1178[BH]9%1465)[CH]1CC[CH]2=[CH]3CC[CH]4=1
• Title of publication: Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium
• Authors of publication: Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6443
• a: 17.2832 ± 0.0005 Å
• b: 10.5283 ± 0.0002 Å
• c: 14.1775 ± 0.0004 Å
• α: 90°
• β: 113.02 ± 0.003°
• γ: 90°
• Cell volume: 2374.34 ± 0.12 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No